methane;2-methylindazole;1-methylpyrazole

C13H18N4 — CID 160697576

IUPACmethane;2-methylindazole;1-methylpyrazole
SMILESC.Cn1cc2ccccc2n1.Cn1cccn1
InChIInChI=1S/C8H8N2.C4H6N2.CH4/c1-10-6-7-4-2-3-5-8(7)9-10;1-6-4-2-3-5-6;/h2-6H,1H3;2-4H,1H3;1H4
InChIKeyRQEQTKHLHABEAC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds

About methane;2-methylindazole;1-methylpyrazole

methane;2-methylindazole;1-methylpyrazole (PubChem CID 160697576) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is methane;2-methylindazole;1-methylpyrazole.

Molecular Properties

Compound Namemethane;2-methylindazole;1-methylpyrazole
PubChem CID160697576
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Namemethane;2-methylindazole;1-methylpyrazole
SMILESC.Cn1cc2ccccc2n1.Cn1cccn1
InChIInChI=1S/C8H8N2.C4H6N2.CH4/c1-10-6-7-4-2-3-5-8(7)9-10;1-6-4-2-3-5-6;/h2-6H,1H3;2-4H,1H3;1H4
InChIKeyRQEQTKHLHABEAC-UHFFFAOYSA-N
XLogP2.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
CID 170573695
2-tert-butylindazole
CID 55250777
2,5-dimethylindazole
CID 58763639
ethane;2-methylindazol-6-amine
CID 178017314
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
2-piperidin-1-ylindazole
CID 154361634
ethane;6-fluoro-2-methylindazole
CID 155591197
5-tert-butyl-2-methylindazole
CID 68930740
2-methylindazol-6-amine;dihydrochloride
CID 19354431
ethane;indazole-2-carboxylic acid
CID 91117205
2-pyridin-2-ylindazole
CID 58814039
2-(trifluoromethyl)indazole
CID 69369964

Frequently Asked Questions

What is the IUPAC name of methane;2-methylindazole;1-methylpyrazole?
The IUPAC name of methane;2-methylindazole;1-methylpyrazole (CID 160697576) is methane;2-methylindazole;1-methylpyrazole.
What is the SMILES notation for methane;2-methylindazole;1-methylpyrazole?
The canonical SMILES for methane;2-methylindazole;1-methylpyrazole is C.Cn1cc2ccccc2n1.Cn1cccn1.
What is the InChIKey of methane;2-methylindazole;1-methylpyrazole?
The InChIKey is RQEQTKHLHABEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H6N2.CH4/c1-10-6-7-4-2-3-5-8(7)9-10;1-6-4-2-3-5-6;/h2-6H,1H3;2-4H,1H3;1H4.
What are the key properties of methane;2-methylindazole;1-methylpyrazole?
methane;2-methylindazole;1-methylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylindazole;1-methylpyrazole is sourced from PubChem (CID 160697576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).